chempirical

Methyl 2-chlorobenzeneacetate

C9H9ClO2CAS 57486-68-7184.62 g/mol

Open in Covalent MOL file
OOCl
Aryl halideEster

Properties

Molecular formula
C9H9ClO2
Molar mass
184.62 g/mol
Exact mass
184.0291 Da
Boiling point
77–78 °C (at 1.8 Torr)
logP
2.06Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
57486-68-7
SMILES
COC(=O)Cc1ccccc1Cl
InChIKey
KHBWTRFWQROKJZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3

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Names and synonyms

5 names
  • Benzeneacetic acid, 2-chloro-, methyl ester
  • Methyl (o-chlorophenyl)acetate
  • Methyl (2-chlorophenyl)acetate
  • 2-Chlorobenzeneacetic acid methyl ester
  • (2-Chlorophenyl)acetic acid methyl ester

Work with Methyl 2-chlorobenzeneacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2,4-dichlorobenzeneacetate55954-23-969 % similar Methyl 1-naphthylacetate2876-78-064 % similar Methyl (2-hydroxyphenyl)acetate22446-37-361 % similar Methyl 2-methoxybenzeneacetate27798-60-361 % similar Methyl phenylacetate101-41-756 % similar (2-Chlorophenyl)acetic acid2444-36-253 % similar Methyl 4-chlorobenzeneacetate52449-43-151 % similar β-Indolylacetic acid methyl ester1912-33-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl m-chlorobenzoate1128-76-3 2-Phenoxypropanoyl chloride122-35-0 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 3-(3-Chlorophenyl)propanoic acid21640-48-2 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-8 2-(4-Chlorophenyl)-1,3-dioxolane2403-54-5 1-[3-(Chloromethyl)-4-hydroxyphenyl]ethanone24085-05-0

Elsewhere

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